methyl 3-(3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl)propanoate

C19H26N2O4 — CID 571320

IUPACmethyl 3-(3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl)propanoate
SMILESCOC(=O)CCC1C(=O)N(C)C(C(C)(C)C)N1C(=O)c1ccccc1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)18-20(4)17(24)14(11-12-15(22)25-5)21(18)16(23)13-9-7-6-8-10-13/h6-10,14,18H,11-12H2,1-5H3
InChIKeyCKKFYHQEFIVVCB-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.29
Rot. Bonds4

About methyl 3-(3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl)propanoate

methyl 3-(3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl)propanoate (PubChem CID 571320) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is methyl 3-(3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl)propanoate
PubChem CID571320
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namemethyl 3-(3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl)propanoate
SMILESCOC(=O)CCC1C(=O)N(C)C(C(C)(C)C)N1C(=O)c1ccccc1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)18-20(4)17(24)14(11-12-15(22)25-5)21(18)16(23)13-9-7-6-8-10-13/h6-10,14,18H,11-12H2,1-5H3
InChIKeyCKKFYHQEFIVVCB-UHFFFAOYSA-N
XLogP2.29
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl)propanoate?
The IUPAC name of methyl 3-(3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl)propanoate (CID 571320) is methyl 3-(3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl)propanoate.
What is the SMILES notation for methyl 3-(3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl)propanoate?
The canonical SMILES for methyl 3-(3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl)propanoate is COC(=O)CCC1C(=O)N(C)C(C(C)(C)C)N1C(=O)c1ccccc1.
What is the InChIKey of methyl 3-(3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl)propanoate?
The InChIKey is CKKFYHQEFIVVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-19(2,3)18-20(4)17(24)14(11-12-15(22)25-5)21(18)16(23)13-9-7-6-8-10-13/h6-10,14,18H,11-12H2,1-5H3.
What are the key properties of methyl 3-(3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl)propanoate?
methyl 3-(3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl)propanoate has a molecular weight of 346.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl)propanoate is sourced from PubChem (CID 571320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).